| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 27 | Yes |
Popular Name: 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 4-(4-fluorophenyl)-2-(4-methyl-1…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.62 | 14.45 | -93.21 | 2 | 3 | 2 | 22 | 369.528 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 12.15 | -4.78 | 0 | 3 | 0 | 19 | 367.512 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.62 | 12.42 | -27.14 | 1 | 3 | 1 | 21 | 368.52 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.62 | 14.18 | -36.72 | 1 | 3 | 1 | 21 | 368.52 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5021421 | IBM Patent Data |
